N-phenyl-6-[(4-phenyloxan-4-yl)methylamino]pyridazine-3-carboxamide

C23H24N4O2 — CID 133313852

IUPACN-phenyl-6-[(4-phenyloxan-4-yl)methylamino]pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(NCC2(c3ccccc3)CCOCC2)nn1
InChIInChI=1S/C23H24N4O2/c28-22(25-19-9-5-2-6-10-19)20-11-12-21(27-26-20)24-17-23(13-15-29-16-14-23)18-7-3-1-4-8-18/h1-12H,13-17H2,(H,24,27)(H,25,28)
InChIKeyPZRVFJQNZQASPS-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.89
Rot. Bonds6

About N-phenyl-6-[(4-phenyloxan-4-yl)methylamino]pyridazine-3-carboxamide

N-phenyl-6-[(4-phenyloxan-4-yl)methylamino]pyridazine-3-carboxamide (PubChem CID 133313852) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-phenyl-6-[(4-phenyloxan-4-yl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-phenyl-6-[(4-phenyloxan-4-yl)methylamino]pyridazine-3-carboxamide
PubChem CID133313852
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-phenyl-6-[(4-phenyloxan-4-yl)methylamino]pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(NCC2(c3ccccc3)CCOCC2)nn1
InChIInChI=1S/C23H24N4O2/c28-22(25-19-9-5-2-6-10-19)20-11-12-21(27-26-20)24-17-23(13-15-29-16-14-23)18-7-3-1-4-8-18/h1-12H,13-17H2,(H,24,27)(H,25,28)
InChIKeyPZRVFJQNZQASPS-UHFFFAOYSA-N
XLogP3.89
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-N-methylpyridazine-3-carboxamide
CID 133343744
6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-N-phenylpyridazine-3-carboxamide
CID 133390552
6-morpholin-4-yl-N-phenylpyridazine-3-carboxamide
CID 109114518
6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide
CID 109125155
6-(2-phenoxyethylamino)-N-phenylpyridazine-3-carboxamide
CID 133313334
6-[(4-methoxyoxan-4-yl)methylamino]-N-methylpyridazine-3-carboxamide
CID 133400022
6-[[2-(dimethylamino)-2-phenylethyl]amino]-N-phenylpyridazine-3-carboxamide
CID 133313257
6-[(1-benzylcyclopropyl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133395276
2-bromo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 1340930
N-[4-[[(4-phenyloxan-4-yl)methylamino]methyl]phenyl]acetamide
CID 38066830
2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 27448808
6-(2,6-difluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109126736

Frequently Asked Questions

What is the IUPAC name of N-phenyl-6-[(4-phenyloxan-4-yl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of N-phenyl-6-[(4-phenyloxan-4-yl)methylamino]pyridazine-3-carboxamide (CID 133313852) is N-phenyl-6-[(4-phenyloxan-4-yl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-phenyl-6-[(4-phenyloxan-4-yl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-phenyl-6-[(4-phenyloxan-4-yl)methylamino]pyridazine-3-carboxamide is O=C(Nc1ccccc1)c1ccc(NCC2(c3ccccc3)CCOCC2)nn1.
What is the InChIKey of N-phenyl-6-[(4-phenyloxan-4-yl)methylamino]pyridazine-3-carboxamide?
The InChIKey is PZRVFJQNZQASPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-22(25-19-9-5-2-6-10-19)20-11-12-21(27-26-20)24-17-23(13-15-29-16-14-23)18-7-3-1-4-8-18/h1-12H,13-17H2,(H,24,27)(H,25,28).
What are the key properties of N-phenyl-6-[(4-phenyloxan-4-yl)methylamino]pyridazine-3-carboxamide?
N-phenyl-6-[(4-phenyloxan-4-yl)methylamino]pyridazine-3-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-6-[(4-phenyloxan-4-yl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 133313852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).